4-[[ethyl(2-methylprop-2-enyl)amino]methyl]-N-propyloxolan-3-amine

C14H28N2O — CID 66255810

IUPAC4-[[ethyl(2-methylprop-2-enyl)amino]methyl]-N-propyloxolan-3-amine
SMILESC=C(C)CN(CC)CC1COCC1NCCC
InChIInChI=1S/C14H28N2O/c1-5-7-15-14-11-17-10-13(14)9-16(6-2)8-12(3)4/h13-15H,3,5-11H2,1-2,4H3
InChIKeyOMTLTDSYQIFLAO-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.90
Rot. Bonds8

About 4-[[ethyl(2-methylprop-2-enyl)amino]methyl]-N-propyloxolan-3-amine

4-[[ethyl(2-methylprop-2-enyl)amino]methyl]-N-propyloxolan-3-amine (PubChem CID 66255810) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 4-[[ethyl(2-methylprop-2-enyl)amino]methyl]-N-propyloxolan-3-amine.

Molecular Properties

Compound Name4-[[ethyl(2-methylprop-2-enyl)amino]methyl]-N-propyloxolan-3-amine
PubChem CID66255810
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name4-[[ethyl(2-methylprop-2-enyl)amino]methyl]-N-propyloxolan-3-amine
SMILESC=C(C)CN(CC)CC1COCC1NCCC
InChIInChI=1S/C14H28N2O/c1-5-7-15-14-11-17-10-13(14)9-16(6-2)8-12(3)4/h13-15H,3,5-11H2,1-2,4H3
InChIKeyOMTLTDSYQIFLAO-UHFFFAOYSA-N
XLogP1.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(2-methylprop-2-enyl)amino]methyl]-N-propyloxolan-3-amine?
The IUPAC name of 4-[[ethyl(2-methylprop-2-enyl)amino]methyl]-N-propyloxolan-3-amine (CID 66255810) is 4-[[ethyl(2-methylprop-2-enyl)amino]methyl]-N-propyloxolan-3-amine.
What is the SMILES notation for 4-[[ethyl(2-methylprop-2-enyl)amino]methyl]-N-propyloxolan-3-amine?
The canonical SMILES for 4-[[ethyl(2-methylprop-2-enyl)amino]methyl]-N-propyloxolan-3-amine is C=C(C)CN(CC)CC1COCC1NCCC.
What is the InChIKey of 4-[[ethyl(2-methylprop-2-enyl)amino]methyl]-N-propyloxolan-3-amine?
The InChIKey is OMTLTDSYQIFLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-5-7-15-14-11-17-10-13(14)9-16(6-2)8-12(3)4/h13-15H,3,5-11H2,1-2,4H3.
What are the key properties of 4-[[ethyl(2-methylprop-2-enyl)amino]methyl]-N-propyloxolan-3-amine?
4-[[ethyl(2-methylprop-2-enyl)amino]methyl]-N-propyloxolan-3-amine has a molecular weight of 240.39 g/mol, XLogP of 1.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(2-methylprop-2-enyl)amino]methyl]-N-propyloxolan-3-amine is sourced from PubChem (CID 66255810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).